N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl)-2-methoxyacetamide

C17H23N3O5S — CID 123581683

IUPACN-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc2c(c1)C1(CCO2)CS(=O)(=O)C(C)(C)C(N)=N1
InChIInChI=1S/C17H23N3O5S/c1-16(2)15(18)20-17(10-26(16,22)23)6-7-25-13-5-4-11(8-12(13)17)19-14(21)9-24-3/h4-5,8H,6-7,9-10H2,1-3H3,(H2,18,20)(H,19,21)
InChIKeyJTFCKWSQNBYCHP-UHFFFAOYSA-N
MW381.45 g/mol
LogP0.81
Rot. Bonds3

About N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl)-2-methoxyacetamide

N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl)-2-methoxyacetamide (PubChem CID 123581683) has the molecular formula C17H23N3O5S and a molecular weight of 381.45 g/mol. Its IUPAC name is N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl)-2-methoxyacetamide
PubChem CID123581683
Molecular FormulaC17H23N3O5S
Molecular Weight381.45 g/mol
Exact Mass381.14
IUPAC NameN-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc2c(c1)C1(CCO2)CS(=O)(=O)C(C)(C)C(N)=N1
InChIInChI=1S/C17H23N3O5S/c1-16(2)15(18)20-17(10-26(16,22)23)6-7-25-13-5-4-11(8-12(13)17)19-14(21)9-24-3/h4-5,8H,6-7,9-10H2,1-3H3,(H2,18,20)(H,19,21)
InChIKeyJTFCKWSQNBYCHP-UHFFFAOYSA-N
XLogP0.81
TPSA120.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4R)-3'-amino-2'-methyl-1',1'-dioxospiro[2,3-dihydrochromene-4,5'-6H-1,2,4-thiadiazine]-6-yl]-5-methoxypyrazine-2-carboxamide
CID 122535435
2-[(4R)-5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl]-1-pyrazolo[1,5-a]pyridin-2-ylethanone
CID 158858114
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-1,3-oxazole-4-carboxamide
CID 89094950
1-amino-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]cyclopropane-1-carboxamide
CID 89095160
N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[1,3-dihydroisochromene-4,3'-2H-1,4-thiazine]-6-yl)-5-methoxy-3-methylpyridine-2-carboxamide
CID 123982742
tert-butyl N-[(4R)-6-[(5-chloropyridine-2-carbonyl)amino]-2'-methyl-1',1'-dioxospiro[2,3-dihydrochromene-4,5'-6H-1,2,4-thiadiazine]-3'-yl]carbamate
CID 122535441
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] (E)-pent-2-enoate
CID 8673273
methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-oxopropanoate
CID 115174105
N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-2-methoxyacetamide
CID 40887102
N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-methylpyridine-2-carboxamide
CID 44626066
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-7-yl]-2-methoxyacetamide
CID 169422185
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720

Frequently Asked Questions

What is the IUPAC name of N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl)-2-methoxyacetamide?
The IUPAC name of N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl)-2-methoxyacetamide (CID 123581683) is N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl)-2-methoxyacetamide.
What is the SMILES notation for N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl)-2-methoxyacetamide?
The canonical SMILES for N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl)-2-methoxyacetamide is COCC(=O)Nc1ccc2c(c1)C1(CCO2)CS(=O)(=O)C(C)(C)C(N)=N1.
What is the InChIKey of N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl)-2-methoxyacetamide?
The InChIKey is JTFCKWSQNBYCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5S/c1-16(2)15(18)20-17(10-26(16,22)23)6-7-25-13-5-4-11(8-12(13)17)19-14(21)9-24-3/h4-5,8H,6-7,9-10H2,1-3H3,(H2,18,20)(H,19,21).
What are the key properties of N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl)-2-methoxyacetamide?
N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl)-2-methoxyacetamide has a molecular weight of 381.45 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl)-2-methoxyacetamide is sourced from PubChem (CID 123581683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).